CID 5270776

Chembl443497

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CCCOC(=O)C(CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C11H15N5O3/c1-2-3-19-11(18)7(17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)
InChIKey
PPSQLGMAINQBBD-UHFFFAOYSA-N
Compound name
propyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1175 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 158.8
[M+Na]+ 288.10672 167.7
[M-H]- 264.11022 157.2
[M+NH4]+ 283.15132 171.8
[M+K]+ 304.08066 164.8
[M+H-H2O]+ 248.11476 150.0
[M+HCOO]- 310.11570 177.3
[M+CH3COO]- 324.13135 196.3
[M+Na-2H]- 286.09217 163.0
[M]+ 265.11695 162.0
[M]- 265.11805 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.